General Information of the Compound
| Compound ID |
CP0765778
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| Compound Name |
3-((1H-Imidazol-1-yl)methyl)-N-((2S,3S)-3-methyl-1-oxo-1-(thiazol-2-ylamino)pentan-2-yl)benzamide
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| Structure |
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| Formula |
C20H23N5O2S
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| Molecular Weight |
397.504
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C20H23N5O2S/c1-3-14(2)17(19(27)24-20-22-8-10-28-20)23-18(26)16-6-4-5-15(11-16)12-25-9-7-21-13-25/h4-11,13-14,17H,3,12H2,1-2H3,(H,23,26)(H,22,24,27)/t14-,17-/m0/s1
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| InChIKey |
MILCULQRTIGDJF-YOEHRIQHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound